Geometry & MOs

Info

ID:	386583
PubChem CID:	134982226
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	326.105528
ΔH_f, kcal/mol:	108.75
Dipole, Da:	4.15
IP(EA), eV:	-8.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(4-nitrophenyl)-2-(2-phenylcyclohepta-2,4,6-trien-1-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CN(C)/C=C/C=C1C(=CC=C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations